5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F4N4O3 — CID 121361654

About 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121361654) has the molecular formula C21H20F4N4O3 and a molecular weight of 452.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 121361654
• Molecular Formula: C21H20F4N4O3
• Molecular Weight: 452.41 g/mol
• Exact Mass: 452.15
• IUPAC Name: 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)(O)C(NC(=O)c1cnn2ccc(C3CC3)nc12)c1ccc(OC(F)(F)F)c(F)c1
• InChI: InChI=1S/C21H20F4N4O3/c1-20(2,31)17(12-5-6-16(14(22)9-12)32-21(23,24)25)28-19(30)13-10-26-29-8-7-15(11-3-4-11)27-18(13)29/h5-11,17,31H,3-4H2,1-2H3,(H,28,30)
• InChIKey: RCNOTKZKLLNPJT-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.41
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121361654) is 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)C(NC(=O)c1cnn2ccc(C3CC3)nc12)c1ccc(OC(F)(F)F)c(F)c1.

What is the InChIKey of 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RCNOTKZKLLNPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O3/c1-20(2,31)17(12-5-6-16(14(22)9-12)32-21(23,24)25)28-19(30)13-10-26-29-8-7-15(11-3-4-11)27-18(13)29/h5-11,17,31H,3-4H2,1-2H3,(H,28,30).

What are the key properties of 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-hydroxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121361654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).